Mode-coupling formulation of heat transport in anharmonic materials

The authors apply here the recently introduced mode-coupling framework for anharmonic lattice dynamics to derive a general theory of phonon heat transport, which does not depend on the harmonic approximation or perturbation theory. They account for diagonal and off-diagonal contributions to the heat current, with and without collective effects, and describe an efficient implementation of the theory, including Monte Carlo integration of the scattering, which reduces the computational cost by an order of magnitude.